The script worked ok for me.
- It takes in input .coeff files produced by model_map.inp (check that you have set 'write_coeff=true' in the output section of this file, otherwise you won't get any .coeff...) and a pdb file of your protein.
Check the CRYST1 line in your pdb file. It should contain the cell and space group info. Sometimes there's an additionnal number at the end which causes an error. Remove it then.
- Put all inputs and the script in the same directory, it seems to mess up with paths when files are at different locations.
- Run the script : source ./cns-convert.csh 2fofc.coeff fofc.coeff protein.pdb
it calls two ccp4 program, pdbset and sftools, so ccp4 must be working
- It outputs a .mtz file you can open in Coot : File>Open MTZ, CIF or phs...
Hope this helps
Hugues Nury
Le 23 nov. 05, à 04:44, John Bruning a écrit :
Has anyone used Joel Bard's script for converting CNS maps to Coot format? If so does it work ok? I am not overly experienced with linux scripts can someone help me get it running? How do you execute it? What variables need to be inputted or changed within the script each time?--
Thanks,
John Bruning
Hugues Nury
Laboratoire des Protéines Membranaires
Institut de Biologie Structurale
41 rue Jules Horowitz - F 38027 Grenoble Cedex 1 - France
tel. +33 (0)4 38 78 95 92
